p-Menthane
PubChem CID: 7459
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| Compound Synonyms | p-Menthane, 99-82-1, 6069-98-3, cis-1-isopropyl-4-methylcyclohexane, 1678-82-6, trans-1-isopropyl-4-methylcyclohexane, 1-ISOPROPYL-4-METHYLCYCLOHEXANE, cis-p-Menthane, trans-p-Menthane, p-Menthane, trans-, p-Menthane, cis-, 1-iso-Propyl-4-methylcyclohexane, Cyclohexane, 1-methyl-4-(1-methylethyl)-, trans-, p-Menthan, 1-methyl-4-propan-2-ylcyclohexane, Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-, 1-Methyl-trans-4-isopropylcyclohexane, Cyclohexane, 1-methyl-4-(1-methylethyl)-, para-menthane, 1-Isopropyl-cis-4-methylcyclohexane, 1-Methyl-cis-4-isopropylcyclohexane, 1-Methyl-4-(1-methylethyl)-cyclohexane, (1r,4r)-1-Isopropyl-4-methylcyclohexane, CGW5GN8TXU, 1-methyl-4-(propan-2-yl)cyclohexane, 1-methyl-4-isopropylcyclohexane, p-Menthane, Z-, trans-1-Methyl-4-isopropylcyclohexane, 1-Isopropyl-4-methyl-cyclohexane, cis, (1r,4r)-1-methyl-4-(propan-2-yl)cyclohexane, cis-1-Methyl-4-isopropylcyclohexane, p-Menthane E, PARA-MENTHANE (2,2-D2), CIS-PARA-MENTHANE(3,3-D2), 1329-99-3, CCRIS 4664, 1-Methyl-4-(1-methylethyl)-cyclohexane, cis, cis-Hexahydro-p-cymene, HSDB 5328, EINECS 202-790-4, NSC 73978, NSC 73979, trans-menthane, cis-menthane, AI3-24486, Cyclohexane, cis-, (E)-para-menthane, (Z)-para-menthane, 1-Isopropyl-4-methyl-cyclohexane, trans, UNII-CGW5GN8TXU, UNII-HU0VZO1K2G, WOODY RIVER 10, HU0VZO1K2G, EC 202-790-4, DTXSID9025530, CHEBI:25826, Menthane, tetradehydro derivative, DTXSID30884219, DTXSID50883709, NSC73978, NSC73979, EINECS 215-532-0, EINECS 252-034-2, MFCD00043477, MFCD00070477, NSC-73978, NSC-73979, AKOS006229182, AKOS015838428, AKOS015838431, 1-methyl-4-(1-methylethyl)cyclohexane, Cyclohexane, 1-methyl-4-isopropyl, trans, DB-005738, DB-254237, I0284, NS00006363, 1-ISOPROPYL-4-METHYLCYCLOHEXANE [HSDB], 1-Methyl-4-(1-methylethyl)-cyclohexane, trans, 4-METHYL-1-(1-METHYLETHYL)CYCLOHEXANE, (1s,4s)-1-methyl-4-(propan-2-yl)cyclohexane, (1S,4S)-1-ISOPROPYL-4-METHYLCYCLOHEXANE, Isopropylmethylcyclohexane, tetradehydro derivative, Q2043490, InChI=1/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H, 34448-33-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CCCCCCC6))CC)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Description | A flavouring compound [Goodscents]. p-Menthane is found in peppermint. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.2 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-propan-2-ylcyclohexane |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFJYNSNXFXLKNS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -5.129 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Logd | 4.645 |
| Synonyms | 1-Isopropyl-4-methylcyclohexane, 1-Methyl-4-(1-methylethyl)-cyclohexane, 1-Methyl-4-(propan-2-yl)cyclohexane, p-Menthan, para-Menthane, Para-menthane, p-menthane |
| Substituent Name | Menthane monoterpenoid, Monocyclic monoterpenoid, Cycloalkane, Hydrocarbon, Aliphatic homomonocyclic compound |
| Esol Class | Moderately soluble |
| Compound Name | p-Menthane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 140.27 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.1464739999999995 |
| Inchi | InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3 |
| Smiles | CC1CCC(CC1)C(C)C |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Mentha Aquatica (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/22164788 - 3. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/1559995